The expected values of Sombor indices in random hexagonal chains, phenylene chains and Sombor indices of some chemical graphs

X Fang, L You, H Liu - International Journal of Quantum …, 2021 - Wiley Online Library
Hexagonal chains are a special class of catacondensed benzenoid system and phenylene
chains are a class of polycyclic aromatic compounds. Recently, A family of Sombor indices …

Distance‐based topological descriptors for measuring the π‐electronic energy of benzenoid hydrocarbons with applications to carbon nanotubes

S Hayat, S Khan, A Khan… - Mathematical Methods in …, 2020 - Wiley Online Library
In this paper, we provide efficient regression models for correlating the π‐electronic
energies of carbon nanotubes and nanocones. First, a computational technique for …

Structural investigation of carbon nanocone through topological coindices

MC Shanmukha, A Usha, KC Shilpa… - … Journal of Quantum …, 2023 - Wiley Online Library
Topological descriptors play a significant role in the selection of leading molecules for
studies/drug design/research. As these descriptors equip the quantitative structure–activity …

On topological indices of carbon nanocones and nanotori

A Jahanbani - International Journal of Quantum Chemistry, 2020 - Wiley Online Library
Let G be a graph with n vertices and di is the degree of its ith vertex (di is the degree of vi). In
this article, we compute the redefined first Zagreb index, redefined second Zagreb index …

[HTML][HTML] Molecular descriptors of symmetrically configured carbon nanocones via quotient graph technique

A Baby, DA Xavier, SAK Kirmani, M Imran… - Ain Shams Engineering …, 2024 - Elsevier
Carbon nanocones, characterized by planar networks primarily consisting of hexagonal
carbon faces and a few pentagons in the core, hold significant promise in various fields such …

Computing edge metric dimension of one-pentagonal carbon nanocone

SK Sharma, H Raza, VK Bhat - Frontiers in Physics, 2021 - frontiersin.org
Minimum resolving sets (edge or vertex) have become an integral part of molecular topology
and combinatorial chemistry. Resolving sets for a specific network provide crucial …

[PDF][PDF] Fault-tolerant edge metric dimension of certain families of graphs

X Liu, M Ahsan, Z Zahid, S Ren - AIMS mathematics, 2021 - aimspress.com
Let WE={w1, w2,..., wk} be an ordered set of vertices of graph G and let e be an edge of G.
Suppose d (x, e) denotes distance between edge e and vertex x of G, defined as d (e, x)= d …

Metric basis and metric dimension of 1-pentagonal carbon nanocone networks

Z Hussain, M Munir, A Ahmad, M Chaudhary… - Scientific Reports, 2020 - nature.com
Resolving set and metric basis has become an integral part in combinatorial chemistry and
molecular topology. It has a lot of applications in computer, chemistry, pharmacy and …

[PDF][PDF] Designing novel nanomaterials for Li-ion batteries: A physico-chemical study through hydrogen-powered horizons

F Mollaamin, M Monajjemi - New Materials, Compounds and …, 2024 - jomardpublishing.com
This research work intends to represent a comprehensive investigation on hydrogen
grabbing by Si5O10–Ge5O10 was carried out including using density functional theory …

Study of Carbon Nanocones CNCk(n) via Connection Zagreb Indices

M Asif, M Hussain, H Almohamedh… - Mathematical …, 2021 - Wiley Online Library
Topology of fullerenes, carbon nanotubes, and nanocones has considerable worth due to
their effective applications in nanotechnology. These are emerging materials of practical …